SCHEMBL4445835

SCHEMBL4445835

NC(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TP53 P04637 1/20 0.57
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
LMNA P02545 3/20 0.50
F2 P00734 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.48
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1252897 0.82 SLC7A5 (0.48) TSHRTP53ESR1ESR2LMNA
SCHEMBL1200862 0.81 TSHR (0.63) TSHRTP53ESR1ESR2LMNA
SCHEMBL1560612 0.81 CYP2D6 (0.44) LMNAF2KMT2ACES2CES1
SCHEMBL13442807 0.81 CYP2D6 (0.44) LMNAF2KMT2ACES2CES1
SCHEMBL28982406 0.80 TSHR (0.57) TSHRTP53ESR1ESR2LMNA
SCHEMBL828657 0.79 TSHR (0.61) TSHRTP53ESR1ESR2LMNA
SCHEMBL20483494 0.79 ESR1 (0.79) TSHRTP53ESR1ESR2LMNA
SCHEMBL11462046 0.79 CYP2D6 (0.43) LMNAF2KMT2ACES2CES1
SCHEMBL446690 0.79 CYP2D6 (0.50) LMNAF2KMT2ASMN1; SMN2
SCHEMBL10366921 0.78 TSHR (0.50) TSHRTP53ESR1ESR2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科(深圳)有限公司 2022-12-08 WO disclosed
CN-109153635-B Neuropeptide S receptor (NPSR) agonists 研究三角协会 2022-04-08 CN disclosed
EP-2035459-B1 COVALENT CONJUGATES OF COTTON AND SUBSTITUTES (VISCOSE, MODAL COTTON) WITH BIOACTIVE SUBSTANCES HAVING ANTISEPTIC, SANITIZING, ACARICIDAL AND INSECT REPELLENT ACTIVITY, AND A METHOD FOR OBTAINING THEM FRANZONI FILATI S P A (IT) 2009-12-16 EP disclosed
EP-2035459-A2 COVALENT CONJUGATES OF COTTON AND SUBSTITUTES (VISCOSE, MODAL COTTON) WITH BIOACTIVE SUBSTANCES HAVING ANTISEPTIC, SANITIZING, ACARICIDAL AND INSECT REPELLENT ACTIVITY, AND A METHOD FOR OBTAINING THEM Franzoni Filati S.p.A. (IT) 2009-03-18 EP disclosed
WO-2007135548-A2 COVALENT CONJUGATES OF COTTON AND SUBSTITUTES (VISCOSE, MODAL COTTON) WITH BIOACTIVE SUBSTANCES HAVING ANTISEPTIC, SANITIZING, ACARICIDAL AND INSECT REPELLENT ACTIVITY, AND A METHOD FOR OBTAINING THEM FRANZONI FILATI S.P.A. (IT) 2007-11-29 WO disclosed